Receptor
PDB id Resolution Class Description Source Keywords
2YP6 1.77 Å EC: 1.-.-.- CRYSTAL STRUCTURE OF THE PNEUMOCCOCAL EXPOSED LIPOPROTEIN THIOREDOXIN SP_1000 (ETRX2) FROM STREPTOCOCCUS PNEUMONIAE S TRAIN TIGR4 IN COMPLEX WITH CYCLOFOS 3 TM STREPTOCOCCUS PNEUMONIAE TIGR4 OXIDOREDUCTASE
Ref.: MOLECULAR ARCHITECTURE OF STREPTOCOCCUS PNEUMONIAE THIOREDOXIN-FOLD LIPOPROTEINS CRUCIAL FOR EXTRACELL OXIDATIVE STRESS RESISTANCE AND MAINTENANCE OF VIRU EMBO MOL.MED. V. 5 1852 2013
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
MLI A:1187;
D:1188;
C:1187;
C:1188;
A:1188;
B:1188;
B:1187;
D:1187;
 Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
 none;
none;
none;
none;
none;
none;
none;
none;
 submit data
102.046 C3 H2 O4 C(C(=...
C6W D:1186;
B:1186;
A:1186;
C:1186;
 Valid;
Valid;
Valid;
Valid;
 none;
none;
none;
none;
 submit data
301.318 C14 H24 N O4 P C[N+]...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2YP6 1.77 Å EC: 1.-.-.- CRYSTAL STRUCTURE OF THE PNEUMOCCOCAL EXPOSED LIPOPROTEIN THIOREDOXIN SP_1000 (ETRX2) FROM STREPTOCOCCUS PNEUMONIAE S TRAIN TIGR4 IN COMPLEX WITH CYCLOFOS 3 TM STREPTOCOCCUS PNEUMONIAE TIGR4 OXIDOREDUCTASE
Ref.: MOLECULAR ARCHITECTURE OF STREPTOCOCCUS PNEUMONIAE THIOREDOXIN-FOLD LIPOPROTEINS CRUCIAL FOR EXTRACELL OXIDATIVE STRESS RESISTANCE AND MAINTENANCE OF VIRU EMBO MOL.MED. V. 5 1852 2013
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 383 families.
1 2YP6 - C6W C14 H24 N O4 P C[N+](C)(C....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 337 families.
1 2YP6 - C6W C14 H24 N O4 P C[N+](C)(C....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 225 families.
1 2YP6 - C6W C14 H24 N O4 P C[N+](C)(C....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: C6W; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 C6W 1 1
2 DPV 0.482143 0.847826
Similar Ligands (3D)
Ligand no: 1; Ligand: C6W; Similar ligands found: 0
No: Ligand Similarity coefficient
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2YP6; Ligand: C6W; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 2yp6.bio4) has 6 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 2YP6; Ligand: C6W; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 2yp6.bio2) has 6 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 2YP6; Ligand: C6W; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 2yp6.bio1) has 6 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 2YP6; Ligand: C6W; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 2yp6.bio3) has 6 residues
No: Leader PDB Ligand Sequence Similarity
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